Cas no 312700-70-2 (5-Isoxazolecarboxylic acid, 3-(2,4,6-trimethylphenyl)-, methyl ester)
312700-70-2 structure
Product Name:5-Isoxazolecarboxylic acid, 3-(2,4,6-trimethylphenyl)-, methyl ester
CAS No:312700-70-2
MF:C14H15NO3
MW:245.273803949356
CID:1446270
Update Time:2024-08-23
5-Isoxazolecarboxylic acid, 3-(2,4,6-trimethylphenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 5-Isoxazolecarboxylic acid, 3-(2,4,6-trimethylphenyl)-, methyl ester
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- Inchi： 1S/C14H15NO3/c1-8-5-9(2)13(10(3)6-8)11-7-12(18-15-11)14(16)17-4/h5-7H,1-4H3
- InChI Key： HBXYCNIJEFDDPH-UHFFFAOYSA-N
- SMILES： O1C(C(OC)=O)=CC(C2=C(C)C=C(C)C=C2C)=N1
Computed Properties
- Exact Mass: 245.10525
Experimental Properties
- Density: 1.127±0.06 g/cm3(Predicted)
- Boiling Point: 364.6±30.0 °C(Predicted)
- PSA: 52.33
- pka: -4.35±0.50(Predicted)
5-Isoxazolecarboxylic acid, 3-(2,4,6-trimethylphenyl)-, methyl ester Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
312700-70-2 (5-Isoxazolecarboxylic acid, 3-(2,4,6-trimethylphenyl)-, methyl ester) Related Products
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